(3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-phenyl-pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-phenyl-pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-[(3,5-dimethylbenzofuran-2-yl)methyl]-3-phenyl-pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-[(3,5-dimethyl-2-benzofuranyl)methyl]-3-phenyl-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-phenylpyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-[(3,5-dimethylbenzofuran-2-yl)methyl]-3-phenyl-pyrrolidin-1-ium-3-ol Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C[NH+]3CCC(C3)(C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C[NH+]3CC[C@@](C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C21H23NO2/c1-15-8-9-19-18(12-15)16(2)20(24-19)13-22-11-10-21(23,14-22)17-6-4-3-5-7-17/h3-9,12,23H,10-11,13-14H2,1-2H3/p+1/t21-/m1/s1